General Information of the Compound
| Compound ID |
CP0176712
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| Compound Name |
CHEMBL4870703
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| Formula |
C23H26FN3O2
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| Molecular Weight |
395.478
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| Canonical SMILES |
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1ccc2nc(cn2c1)-c1ccccc1F
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| InChI |
InChI=1S/C23H26FN3O2/c1-23(2,29)16-8-10-17(11-9-16)25-22(28)15-7-12-21-26-20(14-27(21)13-15)18-5-3-4-6-19(18)24/h3-7,12-14,16-17,29H,8-11H2,1-2H3,(H,25,28)/t16-,17-
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| InChIKey |
RVWYPDHAPNSWFH-QAQDUYKDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound